U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sr2BBrN2 by Materials Project
Abstract
Sr2BN2Br crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Sr2+ is bonded in a 3-coordinate geometry to three equivalent N3- and three equivalent Br1- atoms. All Sr–N bond lengths are 2.53 Å. All Sr–Br bond lengths are 3.31 Å. B3+ is bonded in a linear geometry to two equivalent N3- atoms. Both B–N bond lengths are 1.35 Å. N3- is bonded to three equivalent Sr2+ and one B3+ atom to form NSr3B tetrahedra that share corners with three equivalent BrSr6 octahedra, corners with seven equivalent NSr3B tetrahedra, and edges with three equivalent BrSr6 octahedra. The corner-sharing octahedral tilt angles are 25°. Br1- is bonded to six equivalent Sr2+ atoms to form distorted BrSr6 octahedra that share corners with six equivalent NSr3B tetrahedra, edges with six equivalent BrSr6 octahedra, and edges with six equivalent NSr3B tetrahedra.
- Publication Date:
- Other Number(s):
- mp-1077553
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; B-Br-N-Sr; Sr2BBrN2; crystal structure
- OSTI Identifier:
- 1692824
- DOI:
- https://doi.org/10.17188/1692824
Citation Formats
Materials Data on Sr2BBrN2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1692824.
Materials Data on Sr2BBrN2 by Materials Project. United States. doi:https://doi.org/10.17188/1692824
2020.
"Materials Data on Sr2BBrN2 by Materials Project". United States. doi:https://doi.org/10.17188/1692824. https://www.osti.gov/servlets/purl/1692824. Pub date:Sat May 09 00:00:00 EDT 2020
@article{osti_1692824,
title = {Materials Data on Sr2BBrN2 by Materials Project},
abstractNote = {Sr2BN2Br crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Sr2+ is bonded in a 3-coordinate geometry to three equivalent N3- and three equivalent Br1- atoms. All Sr–N bond lengths are 2.53 Å. All Sr–Br bond lengths are 3.31 Å. B3+ is bonded in a linear geometry to two equivalent N3- atoms. Both B–N bond lengths are 1.35 Å. N3- is bonded to three equivalent Sr2+ and one B3+ atom to form NSr3B tetrahedra that share corners with three equivalent BrSr6 octahedra, corners with seven equivalent NSr3B tetrahedra, and edges with three equivalent BrSr6 octahedra. The corner-sharing octahedral tilt angles are 25°. Br1- is bonded to six equivalent Sr2+ atoms to form distorted BrSr6 octahedra that share corners with six equivalent NSr3B tetrahedra, edges with six equivalent BrSr6 octahedra, and edges with six equivalent NSr3B tetrahedra.},
doi = {10.17188/1692824},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}